0 B11R1.35 C1=C(N=CS1)CC(C(=O)O)N PI-25080 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.35 C1=C(N=CS1)CC(C(=O)O)N PI-43466 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.35 C1=COC(=C1)CC(C(=O)O)N PI-43398 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.35 C1=COC(=C1)CC(C(=O)O)N PI-43461 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.35 C1=CSC(=C1)CC(C(=O)O)N PI-25746 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.35 C1=CSC(=N1)CC(C(=O)O)N PI-19173 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.35 C1=CSC=C1CC(C(=O)O)N PI-25186 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.35 C1=CSC=C1CC(C(=O)O)N PI-25492 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.35 N[C@@H](C(=O)O)Cc1c[nH]cn1 PI-14273 [0,0,0,0,0,0|0,0,2]=2 9 B11R1.35 OC(=O)[C@H](Cc1cccs1)N PI-25369 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.66 C1=CSC(=N1)CCC(=O)O PI-24109 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.66 C1=NN(C=N1)CCC(=O)O PI-19898 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.104 CN1C=C(N=C1)CC(C(=O)O)N PI-10854 [0,1,0,0,0,0|0,0,2]=3 14 B12R1.108 COC(=O)C(CC1=CN=CN1)N PI-18871 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.298 CNC(CC1=CN=CN1)C(=O)O PI-43572 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.298 CNC(CC1=CN=CN1)C(=O)O PI-43621 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [0,0,0,0,0,1|1,0,0]=2 18 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,0,0,0,0,1|3,0,0]=4 19 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,0,0,0,0,1|3,0,0]=4 20 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,0,0,0,0,1|3,0,0]=4 21 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,0,0,0,0,1|3,0,0]=4 22 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [0,0,0,0,0,1|1,0,1]=3 23 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,0,0,0,0,1|2,0,0]=3 24 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [0,0,0,0,0,1|1,0,0]=2 25 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [0,0,0,0,0,1|1,0,0]=2 26 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [0,0,0,0,0,1|1,0,1]=3 27 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [0,0,0,0,0,1|1,0,0]=2 28 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,0,0,0,0,1|3,0,0]=4 29 B12R1.260 C1=COC(=C1)CC(CC(=O)O)N PI-26497 [0,0,0,0,0,1|2,0,0]=3 30 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-13090 [0,1,1,0,0,0|0,0,2]=4 31 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-13123 [0,1,1,0,0,0|0,0,2]=4 32 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-13135 [0,1,1,0,0,0|0,0,2]=4 33 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-14319 [0,1,1,0,0,0|0,0,2]=4 34 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-14322 [0,1,1,0,0,0|0,0,2]=4 35 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-15746 [0,1,1,0,0,0|0,0,2]=4 36 B11R0.29 C(CC(C(=O)O)N)CN=C(N)N PI-45793 [0,1,1,0,0,0|0,0,2]=4 37 B11R1.25 COC(=O)CCc1ccc[nH]1 PI-39032 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.77 C1=CSC(=C1)C(CC(=O)O)N PI-17003 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.77 C1=CSC(=C1)C(CC(=O)O)N PI-17004 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28307 [0,1,0,0,0,1|2,0,0]=4 41 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Br PI-28700 [0,1,0,0,0,1|2,0,0]=4 42 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-10516 [0,1,0,0,0,1|2,0,0]=4 43 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)Cl PI-28142 [0,1,0,0,0,1|2,0,0]=4 44 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-18608 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)F PI-28063 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28308 [0,1,0,0,0,1|2,0,0]=4 47 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)I PI-28701 [0,1,0,0,0,1|2,0,0]=4 48 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-43383 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)N PI-45778 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.133 C1=CC(=CC=C1CC(C(=O)O)N)O PI-42784 [0,1,0,0,0,1|2,0,0]=4 51 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43207 [0,1,0,0,0,1|2,0,0]=4 52 B13R1.133 CC1=CC=C(C=C1)CC(C(=O)O)N PI-43615 [0,1,0,0,0,1|2,0,0]=4 53 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Br PI-30137 [0,1,0,0,0,1|2,0,0]=4 54 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)Cl PI-30896 [0,1,0,0,0,1|2,0,0]=4 55 B13R1.133 NC(C(=O)O)Cc1ccc(cc1)I PI-18181 [0,1,0,0,0,1|2,0,0]=4 56 B13R1.133 NC(CC1=CC=C(C=C1)O)C(O)=O PI-25670 [0,1,0,0,0,1|2,0,0]=4 57 B13R1.133 N[C@@H](C(=O)O)Cc1ccc(cc1)F PI-28220 [0,1,0,0,0,1|2,0,0]=4 58 B13R1.133 N[C@H](C(=O)O)Cc1ccc(cc1)N PI-28895 [0,1,0,0,0,1|2,0,0]=4 59 B13R1.133 Oc1ccc(cc1)C[C@H](N)C(=O)O PI-27245 [0,1,0,0,0,1|2,0,0]=4 60 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,1,0,0,0,1|2,0,0]=4 61 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,1,0,0,0,1|2,0,0]=4 62 B13R1.148 C1=CC(=CC(=C1)Br)CC(C(=O)O)N PI-43732 [0,1,0,0,0,1|2,0,0]=4 63 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43882 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.148 C1=CC(=CC(=C1)Cl)CC(C(=O)O)N PI-43883 [0,1,0,0,0,1|2,0,0]=4 65 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14973 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-14974 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.148 C1=CC(=CC(=C1)F)CC(C(=O)O)N PI-30399 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43208 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.148 CC1=CC(=CC=C1)CC(C(=O)O)N PI-43420 [0,1,0,0,0,1|2,0,0]=4 70 B13R1.148 OC(=O)C(N)Cc1cccc(O)c1 PI-27906 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.152 CC(C1=CC=CC=C1)C(C(=O)O)N PI-30943 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25400 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br PI-25557 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43385 [0,1,0,0,0,1|2,0,0]=4 75 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Cl PI-43881 [0,1,0,0,0,1|2,0,0]=4 76 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14971 [0,1,0,0,0,1|2,0,0]=4 77 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-14972 [0,1,0,0,0,1|2,0,0]=4 78 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)F PI-27404 [0,1,0,0,0,1|2,0,0]=4 79 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)O PI-27375 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.202 CC1=CC=CC=C1CC(C(=O)O)N PI-43884 [0,1,0,0,0,1|2,0,0]=4 81 B13R1.202 OC(=O)[C@@H](Cc1ccccc1C)N PI-39411 [0,1,0,0,0,1|2,0,0]=4 82 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O PI-43815 [0,1,0,0,0,1|2,0,0]=4 83 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14932 [0,1,0,0,0,1|2,0,0]=4 84 B13R1.1073 CC(CC1=CC=CC=C1)(C(=O)O)N PI-14933 [0,1,0,0,0,1|2,0,0]=4 85 B13R1.1073 OC(=O)C(Cc1ccccc1)(N)C PI-30075 [0,1,0,0,0,1|2,0,0]=4 86 B13R1.66 CCOC(=O)C(CC1=CN=CN1)N PI-33225 [0,2,0,0,0,0|0,0,0]=2 87 B13R1.695 C1=C(NC=N1)CC(C(=O)O)NC=O PI-33244 [0,2,0,0,0,0|0,0,0]=2 88 B11R1.74 O=C1NC(=O)N[C@@H](C1)C(=O)O PI-39218 [0,0,1,1,0,0|2,0,0]=4 89 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,0,1,1,0,0|1,0,1]=4 90 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-12890 [0,0,0,1,0,1|2,0,0]=4 91 B13R2.435 C1C(NC2=CC=CC=C21)C(=O)O PI-22729 [0,0,0,1,0,1|2,0,0]=4 92 B13R2.435 OC(=O)[C@@H]1Cc2c(N1)cccc2 PI-10816 [0,0,0,1,0,1|2,0,0]=4 93 B11R1.172 C1=NN(C=N1)CCCC(=O)O PI-26176 [1,0,0,0,0,1|1,0,1]=4 94 B13R1.348 OC(=O)C[C@@H](N)Cc1ccccc1 PI-13008 [0,0,0,0,0,2|2,0,0]=4 95 B13R1.348 OC(=O)C[C@H](N)Cc1ccccc1 PI-13007 [0,0,0,0,0,2|2,0,0]=4 96 B13R1.351 C1=C(CCC(C(O)=O)N)C=CC=C1 PI-16082 [0,0,0,0,0,2|2,0,0]=4 97 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-14962 [0,0,0,0,0,2|2,0,0]=4 98 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-18071 [0,0,0,0,0,2|2,0,0]=4 99 B13R1.351 C1=CC=C(C=C1)SCC(C(=O)O)N PI-14285 [0,0,0,0,0,2|2,0,0]=4 100 B13R1.351 NC(C(=O)O)CCc1ccccc1 PI-26025 [0,0,0,0,0,2|2,0,0]=4